2-(3,5-dimethylpiperazin-1-yl)-N-[1-(4-fluorophenyl)ethyl]acetamide;hydrochloride

C16H25ClFN3O — CID 119923921

IUPAC2-(3,5-dimethylpiperazin-1-yl)-N-[1-(4-fluorophenyl)ethyl]acetamide;hydrochloride
SMILESCC1CN(CC(=O)NC(C)c2ccc(F)cc2)CC(C)N1.Cl
InChIInChI=1S/C16H24FN3O.ClH/c1-11-8-20(9-12(2)18-11)10-16(21)19-13(3)14-4-6-15(17)7-5-14;/h4-7,11-13,18H,8-10H2,1-3H3,(H,19,21);1H
InChIKeyOSNJUEXNQVJEKG-UHFFFAOYSA-N
MW329.85 g/mol
LogP2.11
Rot. Bonds4

About 2-(3,5-dimethylpiperazin-1-yl)-N-[1-(4-fluorophenyl)ethyl]acetamide;hydrochloride

2-(3,5-dimethylpiperazin-1-yl)-N-[1-(4-fluorophenyl)ethyl]acetamide;hydrochloride (PubChem CID 119923921) has the molecular formula C16H25ClFN3O and a molecular weight of 329.85 g/mol. Its IUPAC name is 2-(3,5-dimethylpiperazin-1-yl)-N-[1-(4-fluorophenyl)ethyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(3,5-dimethylpiperazin-1-yl)-N-[1-(4-fluorophenyl)ethyl]acetamide;hydrochloride
PubChem CID119923921
Molecular FormulaC16H25ClFN3O
Molecular Weight329.85 g/mol
Exact Mass329.17
IUPAC Name2-(3,5-dimethylpiperazin-1-yl)-N-[1-(4-fluorophenyl)ethyl]acetamide;hydrochloride
SMILESCC1CN(CC(=O)NC(C)c2ccc(F)cc2)CC(C)N1.Cl
InChIInChI=1S/C16H24FN3O.ClH/c1-11-8-20(9-12(2)18-11)10-16(21)19-13(3)14-4-6-15(17)7-5-14;/h4-7,11-13,18H,8-10H2,1-3H3,(H,19,21);1H
InChIKeyOSNJUEXNQVJEKG-UHFFFAOYSA-N
XLogP2.11
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.85
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[(2R)-2-methylmorpholin-4-yl]acetamide
CID 31502166
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-morpholin-4-ylacetamide
CID 2534176
N-[1-(4-fluorophenyl)ethyl]-2-[2-(hydroxymethyl)morpholin-4-yl]acetamide
CID 79834633
2-(3,5-dimethylpiperazin-1-yl)-N-(1-thiophen-2-ylethyl)acetamide
CID 63872915
(3S)-1-[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl]piperidine-3-carboxylic acid
CID 125147582
2-(3-methylpiperazin-1-yl)-N-(1-phenylethyl)acetamide
CID 65448844
2-[4-(cyclohexylmethyl)piperazin-1-yl]-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 86825537
2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-[1-(4-bromophenyl)ethyl]acetamide
CID 60916302
N-[1-(4-fluorophenyl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 4779861
N-[(1S)-1-(4-bromophenyl)ethyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 8704016
2-[4-[2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 8719328
2-(4-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 4878219

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpiperazin-1-yl)-N-[1-(4-fluorophenyl)ethyl]acetamide;hydrochloride?
The IUPAC name of 2-(3,5-dimethylpiperazin-1-yl)-N-[1-(4-fluorophenyl)ethyl]acetamide;hydrochloride (CID 119923921) is 2-(3,5-dimethylpiperazin-1-yl)-N-[1-(4-fluorophenyl)ethyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(3,5-dimethylpiperazin-1-yl)-N-[1-(4-fluorophenyl)ethyl]acetamide;hydrochloride?
The canonical SMILES for 2-(3,5-dimethylpiperazin-1-yl)-N-[1-(4-fluorophenyl)ethyl]acetamide;hydrochloride is CC1CN(CC(=O)NC(C)c2ccc(F)cc2)CC(C)N1.Cl.
What is the InChIKey of 2-(3,5-dimethylpiperazin-1-yl)-N-[1-(4-fluorophenyl)ethyl]acetamide;hydrochloride?
The InChIKey is OSNJUEXNQVJEKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O.ClH/c1-11-8-20(9-12(2)18-11)10-16(21)19-13(3)14-4-6-15(17)7-5-14;/h4-7,11-13,18H,8-10H2,1-3H3,(H,19,21);1H.
What are the key properties of 2-(3,5-dimethylpiperazin-1-yl)-N-[1-(4-fluorophenyl)ethyl]acetamide;hydrochloride?
2-(3,5-dimethylpiperazin-1-yl)-N-[1-(4-fluorophenyl)ethyl]acetamide;hydrochloride has a molecular weight of 329.85 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpiperazin-1-yl)-N-[1-(4-fluorophenyl)ethyl]acetamide;hydrochloride is sourced from PubChem (CID 119923921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).